A stress tensor and QTAIM perspective on the substituent effects of biphenyl subjected to torsion. - Jiajun Dong; Julio R. Maza; Yuning Xu; Tianlv Xu; Roya Momen; Steven R. Kirk; Samantha Jenkins (J. Comput. Chem., 2016)

A QTAIM and stress tensor investigation of the torsion path of a light-driven fluorene molecular rotary motor. - Mingxing Hu; Tianlv Xu; Roya Momen; Guo Huan; Steven R. Kirk; Samantha Jenkins; Michael Filatov (J. Comput. Chem., 2016)

Distinguishing and quantifying the torquoselectivity in competitive ring-opening reactions using the stress tensor and QTAIM. - Guo Huan; Alejandro Morales-Bayuelo; Tianlv Xu; Roya Momen; Lingling Wang; Ping Yang; Steven R. Kirk; Samantha Jenkins (J. Comput. Chem., 2016)

QTAIM and stress tensor interpretation of the (H2O)5 potential energy surface. - Tianlv Xu; James Farrell; Yuning Xu; Roya Momen; Steven R. Kirk; Samantha Jenkins; David J. Wales (J. Comput. Chem., 2016)

The destabilization of hydrogen bonds in an external E-field for improved switch performance. - Tianlv Xu; Roya Momen; Alireza Azizi; Tanja Van Mourik; Herbert Früchtl; Steven R. Kirk; Samantha Jenkins (J. Comput. Chem., 2019)

Next-generation QTAIM for scoring molecular wires in E-fields for molecular electronic devices. - Alireza Azizi; Roya Momen; Herbert Früchtl; Tanja Van Mourik; Steven R. Kirk; Samantha Jenkins (J. Comput. Chem., 2020)